Geometry & MOs

Info

ID:	213494
PubChem CID:	81063916
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	278.022498
ΔH_f, kcal/mol:	-98.14
Dipole, Da:	4.7
IP(EA), eV:	-10.19(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations